Chemical Components in the PDB

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V85 : Summary

Code

V85

One-letter code

X

Molecule name

(2R)-N,3-diphenyl-2-sulfanyl-propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-~{N},3-diphenyl-2-sulfanyl-propanamide

Formula

C15 H15 N O S

Formal charge

0

Molecular weight

257.351 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 S[CH](Cc1ccccc1)C(=O)Nc2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CC(C(=O)Nc2ccccc2)S
Canonical SMILES CACTVS 3.385 S[C@H](Cc1ccccc1)C(=O)Nc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S

IUPAC InChI

InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1

IUPAC InChI key

TVHPOGBEVUIJPE-CQSZACIVSA-N
V85

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-26

Last modified at

2022-01-14

Status

Released

Obsoleted

Not Assigned